SCHEMBL4909470

SCHEMBL4909470

[CH2]C(C)(N)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.67
TAAR1 Q96RJ0 2/20 0.67
CYP2D6 P10635 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TRPA1 O75762 1/20 0.44
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 3/20 0.41
EPHX1 P07099 1/20 0.41
PRMT1 Q99873 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
TP53 P04637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2487465 0.80 TAAR1 (0.73) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
SCHEMBL516033 0.80 TAAR1 (0.73) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
SCHEMBL27795386 0.80 TAAR1 (0.58) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
Phentermine SCHEMBL10392295 0.80 SLC6A2 (1.00) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
SCHEMBL2313943 0.80 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
SCHEMBL27999855 0.80 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
Phentermine SCHEMBL26615 0.80 SLC6A2 (1.00) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
Phentermine SCHEMBL28729624 0.78 SLC6A2 (0.95) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL29011215 0.78 SLC6A2 (0.56) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL2477835 0.78 SLC6A2 (0.70) SLC6A2TAAR1CYP2D6LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-08-21 US claimed
CN-101056631-A Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction ESTEVE LABOR DR (ES) 2007-10-17 CN claimed
CN-101031291-A Compound containing methanol and composition containing at least one nsaid active substance ESTEVE LABOR DR (ES) 2007-09-05 CN claimed
CN-1976722-A Active substance combination ESTEVE LABOR DR (ES) 2007-06-06 CN claimed
EP-1786420-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP claimed
EP-1786419-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS (IN PARTICULAR CIZOLIRTIN CITRATE) FOR THE TREATMENT OF OPIOID ADDICTION Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP claimed
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-04-19 US claimed
US-20070082893-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-12 US claimed
EP-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP claimed
EP-1690537-A1 Derivatives of aryl(or heteroaryl) azolycarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-16 EP claimed
EP-1642577-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of central neuropathic pain Laboratorios del Dr. Esteve S.A. (ES) 2006-04-05 EP claimed
WO-2006027221-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS (IN PARTICULAR CIZOLIRTIN CITRATE) FOR THE TREATMENT OF OPIOID ADDICTION LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2006-03-16 WO claimed
WO-2006027226-A1 DERIVATIVES OF ARYL(OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2006-03-16 WO claimed
EP-1632227-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction Laboratorios del Dr. Esteve S.A. (ES) 2006-03-08 EP claimed
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic LABORATORIOS DR. ESTEVE S.A. (ES) 2006-02-23 US claimed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
EP-1584335-A2 Active substance combination comprising a carbinol composition and an opioid LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-12 EP claimed
US-20050222136-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 SLC6A2 1741/4885TAAR1 1697/4885CYP2D6 404/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 SLC6A2 299/4885TAAR1 13/4885CYP2D6 187/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 SLC6A2 690/4885TAAR1 620/4885CYP2D6 636/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI SLC6A2 1644/4885TAAR1 1358/4885CYP2D6 595/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 SLC6A2 140/4885TAAR1 147/4885CYP2D6 133/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.